2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C11H18F3NO — CID 126750066

IUPAC2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)15-6-4-5-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBKJGWKYWXGZMKM-MRVPVSSYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds

About 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 126750066) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID126750066
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)15-6-4-5-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBKJGWKYWXGZMKM-MRVPVSSYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-Methyl-5-(trifluoromethyl)piperidin-2-one
CID 135025195
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
2,2,2-Trifluoro-1-(4-fluoro-4-methylpiperidin-1-yl)ethanone
CID 101850279
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 126750066) is 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BKJGWKYWXGZMKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)9(16)15-6-4-5-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).